SCHEMBL6565452

SCHEMBL6565452

Nc1cc(C(=O)c2ccccc2)ccc1I

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.57
PBRM1 Q86U86 1/20 0.56
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
SRD5A2 P31213 1/20 0.50
MAPT P10636 5/20 0.48
MAPK13 O15264 2/20 0.48
MAPK12 P53778 2/20 0.48
MAPK11 Q15759 2/20 0.48
MAPK14 Q16539 2/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
ABL1 P00519 1/20 0.46
FABP6 P51161 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2766014 0.85 PBRM1 (0.56) MAPK1PBRM1ATMTDP1L3MBTL1
Benzophenone SCHEMBL27781305 0.82 PBRM1 (0.62) MAPK1PBRM1ATMTDP1L3MBTL1
SCHEMBL144914 0.82 PBRM1 (0.62) MAPK1PBRM1ATMTDP1L3MBTL1
SCHEMBL30874183 0.82 PBRM1 (0.62) MAPK1PBRM1ATMTDP1L3MBTL1
SCHEMBL433377 0.80 CDC25B (0.50) TDP1L3MBTL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL11133333 0.79 MAPK1 (0.58) MAPK1PBRM1ATMTDP1L3MBTL1
SCHEMBL9859728 0.78 VCAM1 (0.57) MAPK1PBRM1ATMTDP1L3MBTL1
SCHEMBL2270464 0.78 MAPT (0.63) MAPK1PBRM1ATMTDP1L3MBTL1
SCHEMBL9350582 0.78 MAPK1 (0.57) MAPK1PBRM1ATMTDP1L3MBTL1
SCHEMBL27547129 0.78 KDM4E (0.58) MAPK1PBRM1ATMTDP1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed